6-tert-butylazepin-2-imine

C10H14N2 — CID 123205681

IUPAC6-tert-butylazepin-2-imine
SMILES[H]/N=c1\cccc(C(C)(C)C)cn1
InChIInChI=1S/C10H14N2/c1-10(2,3)8-5-4-6-9(11)12-7-8/h4-7,11H,1-3H3/b11-9+
InChIKeyHDSJYKAHWWBOQA-PKNBQFBNSA-N
MW162.24 g/mol
LogP1.86
Rot. Bonds

About 6-tert-butylazepin-2-imine

6-tert-butylazepin-2-imine (PubChem CID 123205681) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 6-tert-butylazepin-2-imine.

Molecular Properties

Compound Name6-tert-butylazepin-2-imine
PubChem CID123205681
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name6-tert-butylazepin-2-imine
SMILES[H]/N=c1\cccc(C(C)(C)C)cn1
InChIInChI=1S/C10H14N2/c1-10(2,3)8-5-4-6-9(11)12-7-8/h4-7,11H,1-3H3/b11-9+
InChIKeyHDSJYKAHWWBOQA-PKNBQFBNSA-N
XLogP1.86
TPSA36.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butylazepin-2-imine?
The IUPAC name of 6-tert-butylazepin-2-imine (CID 123205681) is 6-tert-butylazepin-2-imine.
What is the SMILES notation for 6-tert-butylazepin-2-imine?
The canonical SMILES for 6-tert-butylazepin-2-imine is [H]/N=c1\cccc(C(C)(C)C)cn1.
What is the InChIKey of 6-tert-butylazepin-2-imine?
The InChIKey is HDSJYKAHWWBOQA-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H14N2/c1-10(2,3)8-5-4-6-9(11)12-7-8/h4-7,11H,1-3H3/b11-9+.
What are the key properties of 6-tert-butylazepin-2-imine?
6-tert-butylazepin-2-imine has a molecular weight of 162.24 g/mol, XLogP of 1.86, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butylazepin-2-imine is sourced from PubChem (CID 123205681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).